Ligand id: 4233

Name: ketamine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 29.1
Molecular weight 237.09
XLogP 2.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dravid SM, Erreger K, Yuan H, Nicholson K, Le P, Lyuboslavsky P, Almonte A, Murray E, Mosely C, Barber J et al.. (2007)
Subunit-specific mechanisms and proton sensitivity of NMDA receptor channel block.
J. Physiol. (Lond.), 581 (Pt 1): 107-28. [PMID:17303642]
2. Wainer, IW et al.. (2013)
The use of (2r, 6r)-hydroxynorketamine, (s)-dehydronorketamine and other stereoisomeric dehydro and hydroxylated metabolites of (r,s)- ketamine in the treatment of depression and neuropathic pain.
Patent number: WO2013056229. Assignee: US Government. Priority date: 14/10/2011. Publication date: 18/04/2013.
3. Zanos P, Moaddel R, Morris PJ, Georgiou P, Fischell J, Elmer GI, Alkondon M, Yuan P, Pribut HJ, Singh NS et al.. (2016)
NMDAR inhibition-independent antidepressant actions of ketamine metabolites.
Nature, 533 (7604): 481-6. [PMID:27144355]